Glycoside
GD010546
Name:
Roselipin 1AFormula:
C40H72O14Smiles:
CC[C@H](C)C[C@H](C)C[C@H](C)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)C(=O)OC[C@H](O)[C@H](O)[C@H](O)COAglycone:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=OSugarmoiety:
OCC(O)C(O)C(O)COO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.82 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 23 |
| MolWt: | 777.0 | Num_heavy_atoms: | 54 |
| TPSA: | 247.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD06935
Formula: C29H52O4
Smiles:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 464.73 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
